E679-0407 Screening compound: 1-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-3-[3-(pyrrolidin-1-yl)propyl]urea

E679-0407 Screening compound: 1-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-3-[3-(pyrrolidin-1-yl)propyl]urea
E679-0407 Screening compound: 1-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-3-[3-(pyrrolidin-1-yl)propyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E679-0407
1-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-3-[3-(pyrrolidin-1-yl)propyl]urea

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E679-0407

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

1-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-3-[3-(pyrrolidin-1-yl)propyl]urea

IUPAC name

1-(2-methyl-1-oxo-12-dihydroisoquinolin-4-yl)-3-[3-(pyrrolidin-1-yl)propyl]urea

SMILES

CN(C=C(c1c2cccc1)NC(NCCCN1CCCC1)=O)C2=O

InChI

InChI=1S/C18H24N4O2/c1-21-13-16(14-7-2-3-8-15(14)17(21)23)20-18(24)19-9-6-12-22-10-4-5-11-22/h2-3,7-8,13H,4-6,9-12H2,1H3,(H2,19,20,24)

InChI Key

BXYOYLYWLMTIIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.793

Distribution Coefficient, logD

-2.076

Water Solubility, LogSw

-2.10

Polar Surface Area

54.965

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

10.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

E679-0407 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E679-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E679-0407?
Check Price and Availability of E679-0407, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E679-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E679-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E679-0407
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E679-0407 available by request